BMRB Entry 30568
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30568
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Title: SOLUTION STRUCTURE OF CN29, A TOXIN FROM CENTRUROIDES NOXIUS SCORPION VENOM PubMed: 31226259
Deposition date: 2019-02-06 Original release date: 2019-06-25
Authors: Delepierre, M.; Gurrola, G.; Possani, L.; Guijarro, J.
Citation: Gurrola, G.; Guijarro, J.; Delepierre, M.; Mendoza, R.; Cid-Uribe, J.; Coronas, F.; Possani, L.. "Cn29, a novel orphan peptide found in the venom of the scorpion Centruroides noxius: Structure and function." Toxicon 167, 184-191 (2019).
Assembly members:
entity_1, polymer, 27 residues, 2831.280 Da.
Natural source: Common Name: Mexican scorpion Taxonomy ID: 6878 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Centruroides noxius
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: LCLSCRGGDYDCRVKGTCEN
GKCVCGS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 168 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 27 residues - 2831.280 Da.
| 1 | LEU | CYS | LEU | SER | CYS | ARG | GLY | GLY | ASP | TYR | ||||
| 2 | ASP | CYS | ARG | VAL | LYS | GLY | THR | CYS | GLU | ASN | ||||
| 3 | GLY | LYS | CYS | VAL | CYS | GLY | SER |
Samples:
sample_1: Cn29 0.19 mM
sample_conditions_1: ionic strength: 0 M; pH: 4; pressure: 1 atm; temperature: 298.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQ-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin v4.0.5, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment, peak picking
ARIA v2.3.2, Linge, O'Donoghue and Nilges - structure calculation
CNS v1.2.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
NMR spectrometers:
- Bruker AVANCE NEO 800 MHz